6533b86cfe1ef96bd12c8009

RESEARCH PRODUCT

Structure and dynamics of RNA guanine quadruplexes in SARS-CoV-2 genome. Original strategies against emerging viruses

Antonio MonariTom MiclotTom MiclotMarco MarazziGiampaolo BaroneAlessio TerenziEmmanuelle BignonCécilia Hognon

subject

chemistry.chemical_compoundchemistryViral proteinSevere acute respiratory syndrome coronavirus 2 (SARS-CoV-2)RNA SequencemedicineRNATranslation (biology)Computational biologyGuanine-Quadruplexesmedicine.disease_causeGenomeDNA

description

Guanine quadruplexes (G4) structures in viral genome have a key role in modulating viruses’ biological activity. While several DNA G4 structures have been experimentally resolved, RNA G4s are definitely less explored. We report the first calculated G4 structure of the RG-1 RNA sequence of SARS-CoV-2 genome, obtained by using a multiscale approach combining quantum and classical molecular modelling and corroborated by the excellent agreement between the corresponding calculated and experimental circular dichroism spectra. We prove the stability of RG-1 G4 arrangement as well as its interaction with G4 ligands potentially inhibiting viral protein translation.

yearjournalcountryeditionlanguage
2021-05-21
https://doi.org/10.1101/2021.05.20.444918